1,4-diheptyldibenzo-p-dioxin-2,3-diolate

Systemtic Name: 1,4-diheptyldibenzo-p-dioxin-2,3-diolate Openeye Name: 1,4-diheptyldibenzo-p-dioxin-2,3-diolate CAS Name: 1,4-diheptyldibenzo-p-dioxin-2,3-diolate IUPAC Name: 1,4-diheptyldibenzo-p-dioxin-2,3-diolate Traditional Name: 1,4-diheptyldibenzo-p-dioxin-2,3-diolate Formula: C26H34O4-2 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C2=C1OC3=CC=CC=C3O2)CCCCCCC)[O-])[O-]

Isomeric SMILES

CCCCCCCC1=C(C(=C(C2=C1OC3=CC=CC=C3O2)CCCCCCC)[O-])[O-]

InChI

InChI=1S/C26H36O4/c1-3-5-7-9-11-15-19-23(27)24(28)20(16-12-10-8-6-4-2)26-25(19)29-21-17-13-14-18-22(21)30-26/h13-14,17-18,27-28H,3-12,15-16H2,1-2H3/p-2